lappend auto_path ../../pkg/TMD
package require TMD

#Create a instance of CHARMM.
Charmm create testcharmm
testcharmm autosetup
testcharmm printConfig
# You can setup the Charmm interface with several parameters.
testcharmm setup {
    bin /usr/local/bin/imm1pb
    cmdlog input.inp
    outputlog testcharmm.out
    compressOutput no
}
testcharmm printConfig
# You can also add configuration at the last moment before start the interfacing.
testcharmm start {
    bin /usr/local/bin/imm1pb
}
set result [testcharmm sendCmd "calc i= 1+1"]
puts "calc i= 1+1"
puts $result
testcharmm abort
testcharmm start 
testcharmm abort
